2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)O)OC

InChI

InChI=1S/C12H14N4O4S/c1-19-8-4-3-7(5-9(8)20-2)11-14-15-12(16(11)13)21-6-10(17)18/h3-5H,6,13H2,1-2H3,(H,17,18)